N-(2-methylphenyl)-5-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0831 |
| Compound Name: | N-(2-methylphenyl)-5-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C24 H27 N5 O2 S |
| Smiles: | Cc1ccccc1NC(c1nnc(CCCC(N2CCN(CC2)c2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1635 |
| logD: | 3.1634 |
| logSw: | -3.3558 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.012 |
| InChI Key: | MYUHQCZKUGWFPI-UHFFFAOYSA-N |